Geometry & MOs

Info

ID:	396362
PubChem CID:	135028212
Reduced:	NO2C9H9 (1)
Stoich.:	AB2C9D9 (1)
Weight, g/mol:	358.189257
ΔH_f, kcal/mol:	-54.13
Dipole, Da:	3.06
IP(EA), eV:	-10.46(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-4-methyl-2-[[(2S)-2-(5-oxo-2H-pyrrol-1-yl)-3-phenylpropanoyl]amino]pentanoate

Drug info:

PubChemData

Smile

C1C2C=CC1C3[C@H]2C(=O)NC3=O

DOS

IR

Vibrations